N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine

C13H17N3 — CID 82512554

IUPACN-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine
SMILESCNCCn1cc(-c2ccccc2)nc1C
InChIInChI=1S/C13H17N3/c1-11-15-13(10-16(11)9-8-14-2)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyLMQMQKGIBQGVOX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine

N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine (PubChem CID 82512554) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine
PubChem CID82512554
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine
SMILESCNCCn1cc(-c2ccccc2)nc1C
InChIInChI=1S/C13H17N3/c1-11-15-13(10-16(11)9-8-14-2)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyLMQMQKGIBQGVOX-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine (CID 82512554) is N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine is CNCCn1cc(-c2ccccc2)nc1C.
What is the InChIKey of N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine?
The InChIKey is LMQMQKGIBQGVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-15-13(10-16(11)9-8-14-2)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine?
N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine is sourced from PubChem (CID 82512554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).